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Benzenecarbothioic acid, S-[3-(phenylseleno)bicyclo[2.2.1]hept-2-yl]ester, (exo,exo)-
SpectraBase Compound ID 68bzPbZYatA
InChI InChI=1S/C20H20OSSe/c22-20(14-7-3-1-4-8-14)21-18-15-11-12-16(13-15)19(18)23-17-9-5-2-6-10-17/h1-10,15-16,18-19H,11-13H2/t15?,16?,18?,19-/m0/s1
InChIKey DYJLOOWBHWEMQH-WEFHOXGESA-N
Mol Weight 387.41 g/mol
Molecular Formula C20H20OSSe
Exact Mass 388.040008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lf23sXrOz9
Name Benzenecarbothioic acid, S-[3-(phenylseleno)bicyclo[2.2.1]hept-2-yl]ester, (exo,exo)-
CAS Registry Number 101401-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20OSSe
InChI InChI=1S/C20H20OSSe/c22-20(14-7-3-1-4-8-14)21-18-15-11-12-16(13-15)19(18)23-17-9-5-2-6-10-17/h1-10,15-16,18-19H,11-13H2/t15?,16?,18?,19-/m0/s1
InChIKey DYJLOOWBHWEMQH-WEFHOXGESA-N
Molecular Weight 387.411 g/mol
SMILES C1([C@](C2CC1CC2)([Se]c1ccccc1)[H])OC(=S)c1ccccc1
SPLASH splash10-0a4i-0900000000-16901050f7601a021fa1
Source of Spectrum KC-1988-579-2
Synonyms exo-cis-S-3-(phenylseleno)bicyclo[2.2.1]heptan-2-yl thiobenzoate O-[(3S)-3-(phenylselanyl)bicyclo[2.2.1]hept-2-yl]benzenecarbothioate
Wiley ID 1363697